SCHEMBL4269290

SCHEMBL4269290

CCCCCCN1C=CN(C)C=C1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 4/20 0.42
RAB9A P51151 4/20 0.42
MITF O75030 1/20 0.42
GAA P10253 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
PTGS1 P23219 3/20 0.40
PTGS2 P35354 3/20 0.40
MGLL Q99685 2/20 0.40
TSHR P16473 2/20 0.40
THRB P10828 1/20 0.40
FAAH O00519 1/20 0.40
MEN1 O00255 2/20 0.40
ALDH1A1 P00352 2/20 0.40
KMT2A Q03164 2/20 0.40
MAPT P10636 2/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
DNM1 Q05193 4/20 0.38
TBXAS1 P24557 1/20 0.38
EPHX1 P07099 1/20 0.38
GALR3 O60755 2/20 0.36

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL4274729 1.00 NPC1 (0.42) NPC1RAB9AMITFGAAL3MBTL1
SCHEMBL4274617 0.92 TSHR (0.47) NPC1RAB9AMITFGAAL3MBTL1
SCHEMBL4270831 0.92 TSHR (0.47) NPC1RAB9AMITFGAAL3MBTL1
SCHEMBL4270037 0.92 TSHR (0.47) NPC1RAB9AMITFGAAL3MBTL1
SCHEMBL18838747 0.89 NPC1 (0.44) NPC1RAB9AMITFGAAL3MBTL1
SCHEMBL665738 0.87 NPC1 (0.43) NPC1RAB9AMITFGAAL3MBTL1
SCHEMBL4272553 0.87 NPC1 (0.43) NPC1RAB9AMITFGAAL3MBTL1
SCHEMBL2761154 0.86 PTGS1 (0.38) NPC1RAB9AMITFGAAL3MBTL1
SCHEMBL4267698 0.85 NPC1 (0.42) NPC1RAB9AMITFGAAL3MBTL1
SCHEMBL4275096 0.85 NPC1 (0.42) NPC1RAB9AMITFGAAL3MBTL1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7605271-B2 Superhigh purity ionic liquid DAI-ICHI KOGYO SEIYAKU CO., LTD (JP) 2009-10-20 US disclosed
CN-100471843-C Ultra-high purity ionic liquids DAI ICHI KOGYO SEIYAKU CO LTD (JP) 2009-03-25 CN disclosed
CN-1854129-A Ultra-high purity ionic liquids DAI ICHI KOGYO SEIYAKU CO LTD (JP) 2006-11-01 CN disclosed
US-20060223995-A1 Superhigh purity ionic liquid DAI-ICHI KOGYO SEIYAKU CO., LTD. (JP) 2006-10-05 US disclosed
EP-1707265-A1 Superhigh purity ionic liquid DAI-ICHI KOGYO SEIYAKU CO., LTD. (JP) 2006-10-04 EP disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20060223995-A1 Superhigh purity ionic liquid SLC7A5, SLC7A1, SLC43A1 NPC1 1771/4885RAB9A 344/4885MITF 3428/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.